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27069-17-6,MFCD00112008
Catalog No.:AA003I27
27069-17-6 | 3-(4-Methoxyphenyl)pyrazole
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$43.00   $30.00
- +
5g
98%
in stock  
$129.00   $90.00
- +
25g
98%
in stock  
$596.00   $417.00
- +
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003I27
Chemical Name:
3-(4-Methoxyphenyl)pyrazole
CAS Number:
27069-17-6
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD00112008
IUPAC Name:
5-(4-methoxyphenyl)-1H-pyrazole
InChI:
InChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
InChI Key:
QUSABYOAMXPMQH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1n[nH]cc1
Properties
Computed Properties
 
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3-(4-methoxyphenyl)-1H-pyrazole 
27069-17-6 
1H-Pyrazole, 3-(4-methoxyphenyl)- 
AC1LCDJZ 
AC1Q4ATI 
Maybridge1_007801 
AC1Q4A7Z 
3-(4-methoxyphenyl)-pyrazole 
SCHEMBL1186499 
CTK4F9045 
CTK7A3167 
HMS563K13 
3-(4-Methoxyphenyl)Pyrazole 
DTXSID40344859 
Pyrazole, 5-(4-methoxyphenyl)- 
KS-00001OM3 
ZINC9238256 
1H-Pyrazole,3-(4-methoxyphenyl)- 
3-(4-Methoxyphenyl)pyrazole, 98% 
ANW-26121 
BBL028210 
BDBM50141063 
MFCD00112008 
5-(4-Methoxyphenyl)-1H-pyrazole 
SBB059634 
STK305223 
5-(4-Methoxyphenyl)-1H-pyrazole # 
AKOS000345379 
AKOS002658113 
MCULE-9803809319 
NCGC00339497-01 
SC-62553 
AB0048453 
DB-025970 
CHEMBL39210 
FT-0705891 
ST45073364 
A-8042 
AB01332549-02 
2Y-0829 
A818901 
J-016669 
I14-91933 
3- PYRAZOLE 
CID599984 
QUSABYOAMXPMQH-UHFFFAOYSA-N 
ZINC00109084 
3-(4-Methoxy-phenyl)-1H-pyrazole 
5-(4-METHOXYPHENYL)PYRAZOLE 
4-methoxy-1-pyrazol-3-ylbenzene 
3-(4-methoxyphenyl)pyrazole, AldrichCPR 
Literature

Title: 3-(4-phenoxyphenyl)pyrazoles: a novel class of sodium channel blockers.

Journal: Journal of medicinal chemistry 20040311

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